N-(2-bicyclo[2.2.1]heptanylmethyl)-3-imidazol-1-ylpropan-1-amine

C14H23N3 — CID 63683145

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-3-imidazol-1-ylpropan-1-amine
SMILESc1cn(CCCNCC2CC3CCC2C3)cn1
InChIInChI=1S/C14H23N3/c1(6-17-7-5-16-11-17)4-15-10-14-9-12-2-3-13(14)8-12/h5,7,11-15H,1-4,6,8-10H2
InChIKeyJCSFKWMOTOEYHO-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.30
Rot. Bonds6

About N-(2-bicyclo[2.2.1]heptanylmethyl)-3-imidazol-1-ylpropan-1-amine

N-(2-bicyclo[2.2.1]heptanylmethyl)-3-imidazol-1-ylpropan-1-amine (PubChem CID 63683145) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-3-imidazol-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-3-imidazol-1-ylpropan-1-amine
PubChem CID63683145
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-3-imidazol-1-ylpropan-1-amine
SMILESc1cn(CCCNCC2CC3CCC2C3)cn1
InChIInChI=1S/C14H23N3/c1(6-17-7-5-16-11-17)4-15-10-14-9-12-2-3-13(14)8-12/h5,7,11-15H,1-4,6,8-10H2
InChIKeyJCSFKWMOTOEYHO-UHFFFAOYSA-N
XLogP2.30
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3-chlorocyclohexyl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 106122739
N-(2-bicyclo[2.2.1]heptanylmethyl)-3-morpholin-4-ylpropan-1-amine
CID 79554753
(1S,2R,3R,4S)-3-(3-imidazol-1-ylpropylcarbamoyl)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 124716070
3-cyclopentyl-N-(3-imidazol-1-ylpropyl)propan-1-amine
CID 114136924
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloropentan-1-amine
CID 107319933
3-imidazol-1-yl-N-[(3-phenylpyrazolidin-4-yl)methyl]propan-1-amine
CID 76873394
2-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylamino]ethanethiol
CID 129374501
N-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 86799389
N-(3-imidazol-1-ylpropyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 43392168
N'-(3-imidazol-1-ylpropyl)-N-propylethane-1,2-diamine
CID 53216159
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-piperidin-1-ylethanamine
CID 79554930
4-imidazol-1-yl-N-(piperidin-3-ylmethyl)butan-1-amine
CID 80555259

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-3-imidazol-1-ylpropan-1-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-3-imidazol-1-ylpropan-1-amine (CID 63683145) is N-(2-bicyclo[2.2.1]heptanylmethyl)-3-imidazol-1-ylpropan-1-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-3-imidazol-1-ylpropan-1-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-3-imidazol-1-ylpropan-1-amine is c1cn(CCCNCC2CC3CCC2C3)cn1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-3-imidazol-1-ylpropan-1-amine?
The InChIKey is JCSFKWMOTOEYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1(6-17-7-5-16-11-17)4-15-10-14-9-12-2-3-13(14)8-12/h5,7,11-15H,1-4,6,8-10H2.
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-3-imidazol-1-ylpropan-1-amine?
N-(2-bicyclo[2.2.1]heptanylmethyl)-3-imidazol-1-ylpropan-1-amine has a molecular weight of 233.36 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-3-imidazol-1-ylpropan-1-amine is sourced from PubChem (CID 63683145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).